Nb2C Mxene as a bifunctional acid base and oxidation/hydrogenation catalyst
| dc.contributor.affiliation | Instituto Universitario Mixto de Tecnología Química | |
| dc.contributor.affiliation | Departamento de Química | |
| dc.contributor.affiliation | Escuela Técnica Superior de Ingeniería Industrial | |
| dc.contributor.author | Pavel, Octavian | es_ES |
| dc.contributor.author | Tirsoaga, Alina | es_ES |
| dc.contributor.author | Cojocaru, Bogdan | es_ES |
| dc.contributor.author | Popescu, Dana | es_ES |
| dc.contributor.author | Ramírez-Grau, Rubén | |
| dc.contributor.author | Pablo Enrique | |
| dc.contributor.author | García-Aznar, Pablo | |
| dc.contributor.author | Tian, Liang | |
| dc.contributor.author | Sastre Navarro, German Ignacio | |
| dc.contributor.author | Primo Arnau, Ana Maria | |
| dc.contributor.author | Parvulescu, Vasile | es_ES |
| dc.contributor.author | García Gómez, Hermenegildo | |
| dc.contributor.funder | European Commission | es_ES |
| dc.contributor.funder | Generalitat Valenciana | es_ES |
| dc.contributor.funder | Agencia Estatal de Investigación | es_ES |
| dc.contributor.funder | Ministerio de Ciencia e Innovación | es_ES |
| dc.contributor.funder | Ministerio de Ciencia, Innovación y Universidades | es_ES |
| dc.date.accessioned | 2025-06-12T12:28:18Z | |
| dc.date.available | 2025-06-12T12:28:18Z | |
| dc.date.issued | 2025-04 | es_ES |
| dc.description.abstract | [EN] Nb2C MXene, obtained from Nb2AlC by Al3+ etching and exfoliation, was characterized using XRD, HRTEM and AFM, with the data confirming the crystallinity of the sample and the 2D morphology of the sheets with an average layer thickness of 1.5 nm. Surface analysis using XPS revealed the presence of structural defects, and NH3- and CO2-TPD profiles confirmed the low density of acid and basic sites in the range of tens of mu mol gcatalyst-1 of weak and moderate strengths. The combination of acid and basic sites in close proximity on the solid surface was responsible for the remarkable catalytic activity of Nb2C MXene in promoting aldolic condensation with high turnover frequencies of up to 855 h-1, which was comparable to the values of benchmark catalysts, such as MgO or HZSM-5. Nb2C MXene also catalyzed the aerobic oxidative aniline coupling to azo- and azoxy-benzene and hydrogenation of azoxybenzene to azobenzene. | en_EN |
| dc.description.accrualMethod | S | es_ES |
| dc.description.bibliographicCitation | Pavel, O.; Tirsoaga, A.; Cojocaru, B.; Popescu, D.; Ramírez-Grau, Rubén; Pablo Enrique; García-Aznar, Pablo... (2025). Nb2C Mxene as a bifunctional acid base and oxidation/hydrogenation catalyst. EES Catalysis. https://doi.org/10.1039/d5ey00004a | es_ES |
| dc.description.sponsorship | Financial support from the Spanish Ministry of Science and Innovation (Severo Ochoa CEX2021-001230-S and PDI2018-89237-CO2-1, both funded by MCIN/AEI/10.13039/501100011033) and Generalitat Valenciana (Prometeo 2021-038 and Advanced Materials Programme Graphica MFA/2022/023 with funding from European Union NextGeneration EU PRTR-C17.I1) and European Commission through the ERC Adv. Grant 101141466 DISCOVERY are gratefully acknowledged. R. R.-G. thanks the Ministry of Science and Innovation for the postgraduate scholarship. P. E. G. D. thanks MCIN for the PhD grant PRE2022-103133/CEX2021-001230-S-20-2. P. G. A. thanks BASF for the scholarship. We thank SGAI-CSIC for providing computational facilities, and Preferred Computational Chemistry, Inc. (PFCC) for providing computational facilities and allocating calculation time. We also thank Yoshihiro Yayama, from PFCC, for insights into Matlantis use and fruitful discussions. | es_ES |
| dc.identifier.doi | 10.1039/d5ey00004a | es_ES |
| dc.identifier.eissn | 2753-801X | es_ES |
| dc.identifier.uri | https://riunet.upv.es/handle/10251/221694 | |
| dc.language | Inglés | es_ES |
| dc.publisher | Royal Society of Chemistry | es_ES |
| dc.relation.ispartof | EES Catalysis | es_ES |
| dc.relation.pasarela | S\550660 | es_ES |
| dc.relation.projectID | info:eu-repo/grantAgreement/GVA//PROMETEO%2F2021%2F038/ | es_ES |
| dc.relation.projectID | info:eu-repo/grantAgreement/GVA//MFA%2F2022%2F023/ | es_ES |
| dc.relation.projectID | info:eu-repo/grantAgreement/MCIU//RTI2018-89237-CO2-R1/ | es_ES |
| dc.relation.projectID | info:eu-repo/grantAgreement/AEI//CEX2021-001230-S/ | es_ES |
| dc.relation.projectID | info:eu-repo/grantAgreement/MICINN//PRE2022-103133/ | es_ES |
| dc.relation.publisherversion | https://doi.org/10.1039/d5ey00004a | es_ES |
| dc.rights | Reconocimiento - No comercial (by-nc) | es_ES |
| dc.rights.accessRights | Abierto | es_ES |
| dc.subject | Nb2C MXene | es_ES |
| dc.subject | Nb2AlC | es_ES |
| dc.subject | XRD | es_ES |
| dc.subject | HRTEM | es_ES |
| dc.subject | AFM | es_ES |
| dc.subject | Exfoliation | es_ES |
| dc.subject | 2D morphology | es_ES |
| dc.title | Nb2C Mxene as a bifunctional acid base and oxidation/hydrogenation catalyst | es_ES |
| dc.type | Artículo | es_ES |
| dc.type.version | info:eu-repo/semantics/publishedVersion | es_ES |
| dspace.entity.type | Publication | es_ES |
| person.identifier | 529453 | |
| person.identifier | 771248 | |
| person.identifier | 732005 | |
| person.identifier | 739369 | |
| person.identifier | 171391 | |
| person.identifier | 265514 | |
| person.identifier | 2594 | |
| person.identifier.orcid | 0000-0003-0286-4585 | |
| person.identifier.orcid | 0000-0003-0586-0037 | |
| person.identifier.orcid | 0000-0002-3801-653X | |
| person.identifier.orcid | 0000-0003-0496-6331 | |
| person.identifier.orcid | 0000-0001-9205-2278 | |
| person.identifier.orcid | 0000-0002-9664-493X | |
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